SCHEMBL9130502

SCHEMBL9130502

CCC[C@H]1CC[C@H](c2nccc(-c3ccccc3)n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
VCP P55072 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP2C9 P11712 2/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
AURKA O14965 1/20 0.40
HSP90AA1 P07900 1/20 0.40
PRKACA P17612 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9126504 0.91 MEN1 (0.46) RAB9AKDM4EL3MBTL1VCPMEN1
SCHEMBL28135252 0.85 ADORA2A (0.52) RAB9AKDM4EL3MBTL1VCPMEN1
SCHEMBL7171237 0.78 POLB (0.50) RAB9AKDM4EL3MBTL1VCPMEN1
SCHEMBL20103211 0.77 RAB9A (0.39) RAB9AKDM4EL3MBTL1MEN1KMT2A
SCHEMBL13295147 0.76 HPGDS (0.48) MEN1KMT2AAURKAHSP90AA1PRKACA
SCHEMBL7215923 0.72 RAB9A (0.49) RAB9AKDM4EL3MBTL1MEN1KMT2A
SCHEMBL9841403 0.70 CYP2C9 (0.56) RAB9AKDM4EL3MBTL1MEN1KMT2A
SCHEMBL28060947 0.70 MEN1 (0.50) RAB9AMEN1KMT2AMAPTNPC1
SCHEMBL9561925 0.70 CYP2C9 (0.56) RAB9AKDM4EL3MBTL1MEN1KMT2A
SCHEMBL3653590 0.70 DKK1 (0.64) RAB9AKDM4EMEN1KMT2AMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5439612-A Ferroelectric switches, displaying HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-08 US disclosed
US-5200521-A Ferroelectricity; electrooptical switching and display devices HOECHST AKTIENGESELLSCHAFT (DE) 1993-04-06 US disclosed